Chem
J-GLOBAL ID：200907040390369800   Nikkaji number：J298.634E

18α-Glycyrrhetinic acid

18α-グリシルレチン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H46O4
Molecular formula furigana： C30-H46-O4
Molecular weight： 470.694
InChI： InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1
InChI key： MPDGHEJMBKOTSU-PMTKVOBESA-N
SMILES： CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)O
Systematic name  (4)：
  • (18α,20S)-3β-ヒドロキシ-11-オキソ-5α-オレアナ-12-エン-29-酸
  • (18α)-3β-ヒドロキシ-11-オキソオレアナ-12-エン-30-酸
  • (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bS)-10-ヒドロキシ-2,4a,6a,6b,9,9,12a-ヘプタメチル-13-オキソ-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-2-カルボン酸
  • (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
Other name (6)：
  • 18α-グリシルレチン酸
  • 18α-Glycyrrhetinic acid
  • (18α)-3β-Hydroxy-11-oxoolean-12-en-30-oic acid
  • α-グリシルレチン酸
  • α-Glycyrrhetinic acid
Show all
CAS registry number： 1449-05-4
Regulation number (1)：
  • EINECS2159079
KEGG COMPOUND： C02283
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